Crystallography Open Database
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Searching journal of publication like 'Journal of Physical Chemistry B'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1528557 | CIF | Al O4 V | P -1 | 6.538; 7.756; 9.131 96.17; 107.23; 101.4 | 426.647 | Hansen, M.R.; Madsen, G.K.H.; Jakobsen, H.J.; Skibsted, J. Evaluation of 27.Al and 51.V electric field gradients and the crystal structure for aluminum orthovanadate (Al V O4) by density functional theory calculations J. Phys. Chem. B, 2006, 110, 5975-5983 |
1528829 | CIF | C82 Ce | P a -3 | 15.78; 15.78; 15.78 90; 90; 90 | 3929.35 | Rikiishi, Y.; Kubozono, Y.; Hosokawa, T.; Takabayashi, Y.; Fujiwara, A.; Shibata, K.; Haruyama, Y.; Iwasa, Y.; Kobayashi, S.; Mori, S. Structural and electronic characterizations of two isomers of Ce@C82 J. Phys. Chem. B, 2004, 108, 7580-7585 |
1529027 | CIF | C1.35 D2.7 O12 Si6 | C 1 m 1 | 10.43638; 15.01832; 8.85531 90; 105.739; 90 | 1335.92 | Yang, X.; Toby, B.H.; Camblor, M.A.; Lee, Y.; Olson, D.H. Propene adsorption sites in zeolite ITQ-12: a combined synchrotron x-ray and neutron diffraction study J. Phys. Chem. B, 2005, 109, 7894-7899 |
1531065 | CIF | Al17.32 Ca5.376 O165.12 Si46.68 | C 1 2/c 1 | 17.983; 17.966; 14.625 90; 114.31; 90 | 4306.12 | Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Zanardi, S.; Vezzalini, G. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta J. Phys. Chem. B, 2002, 106, 10277-10284 |
1531066 | CIF | Al10.96 Ca4.84 H66.72 Mg0.64 O161.36 Si53.04 | P 41 2 2 | 12.634; 12.634; 26.608 90; 90; 90 | 4247.12 | Alberti, A.; Zanardi, S.; Cruciani, G.; Galli, E.; Quartieri, S.; Vezzalini, G.; Merlino, S.; Millini, R. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta J. Phys. Chem. B, 2002, 106, 10277-10284 |
1531181 | CIF | Al92 Cd68 O384 Si100 | F d -3 m :2 | 24.953; 24.953; 24.953 90; 90; 90 | 15537 | Choi, E.Y.; Lee, S.H.; Han, Y.W.; Kim, Y.; Seff, K. Crystal structure of a cadmium sorption complex of dehydrated fully Cd(2+)-exchanged zeolite X containing Cd(2+), Cd(+) and Cd(0) J. Phys. Chem. B, 2002, 106, 7569-7573 |
1531407 | CIF | Al12 H6 In10 O48 S3 Si12 | P m -3 m | 12.083; 12.083; 12.083 90; 90; 90 | 1764.1 | Heo, N.-H.; Chun, C.W.; Park, M.; Li, S.-L.; Lim, W.T.; Park, J.S.; Zhou, L.-P. Reaction of fully indium-exchanged zeolite A with hydrogen sulfide.Crystal structures of indium-exchanged zeolite A containingIn2 S, In S H, sorbed H2 S and (In5)(7+) J. Phys. Chem. B, 2002, 106, 4578-4587 |
1531410 | CIF | Al12 H5.2 In9.6 O48 S2.6 Si12 | P m -3 m | 12.076; 12.076; 12.076 90; 90; 90 | 1761.04 | Heo, N.-H.; Park, M.; Chun, C.W.; Lim, W.T.; Park, J.S.; Li, S.-L.; Zhou, L.-P. Reaction of fully indium-exchanged zeolite A with hydrogen sulfide.Crystal structures of indium-exchanged zeolite A containing In2 S, In S H, sorbed H2 S and (In5)(7+) J. Phys. Chem. B, 2002, 106, 4578-4587 |
1531413 | CIF | Al12 H2.8 In10.2 O48 S1.4 Si12 | P m -3 m | 12.094; 12.094; 12.094 90; 90; 90 | 1768.93 | Heo, N.-H.; Lim, W.T.; Chun, C.W.; Zhou, L.-P.; Park, J.S.; Park, M.; Li, S.-L. Reaction of fully indium-exchanged zeolite A with hydrogen sulfide. Crystal structures of indium-exchanged zeolite A containing In2 S, In S H, sorbed H2 S and (In5)(7+) J. Phys. Chem. B, 2002, 106, 4578-4587 |
1531416 | CIF | Al12 H1.6 In10.2 O48 S0.8 Si12 | P m -3 m | 12.094; 12.094; 12.094 90; 90; 90 | 1768.93 | Heo, N.-H.; Chun, C.W.; Park, J.S.; Zhou, L.-P.; Park, M.; Lim, W.T.; Li, S.-L. Reaction of fully indium-exchanged zeolite A with hydrogen sulfide. Crystal structures of indium-exchanged zeolite A containing In2 S, In S H, sorbed H2 S and (In5)(7+) J. Phys. Chem. B, 2002, 106, 4578-4587 |
1531991 | CIF | Al O4 P | R -3 :R | 9.442; 9.442; 9.442 94.65; 94.65; 94.65 | 832.974 | Poulet, G.; Tuel, A.; Sautet, P. Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principles calculations J. Phys. Chem. B, 2002, 106, 8599-8608 |
1531993 | CIF | Al H4 O6 P | P 1 | 9.1851; 9.464; 9.5281 94.511; 102.89; 95.751 | 798.953 | Poulet, G.; Sautet, P.; Tuel, A. Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principlescalculations J. Phys. Chem. B, 2002, 106, 8599-8608 |
1532662 | CIF | Al3.8016 Co1.672 O88.236 Si32.1984 | I m m m | 19.061; 14.163; 7.493 90; 90; 90 | 2022.82 | Dalconi, M.C.; Alberti, A.; Cruciani, G. Cation migration and structural modification of Co-exchanged ferrierite upon heating: a time-resolved X-ray powder diffraction study J. Phys. Chem. B, 2003, 107, 12973-12980 |
1532666 | CIF | Al3.8 Co1.8 H7.46 Na0.2 O75.73 Si32.2 | I m m m | 18.878; 14.136; 7.476 90; 90; 90 | 1995.04 | Dalconi, M.C.; Cruciani, G.; Alberti, A. Cation migration and structural modification of Co-exchanged ferrierite upon heating: a time-resolved X-ray powder diffraction study J. Phys. Chem. B, 2003, 107, 12973-12980 |
1532669 | CIF | Al3.8 Co1.62 Na0.61 O72 Si32.2 | I m m m | 18.819; 14.054; 7.467 90; 90; 90 | 1974.89 | Dalconi, M.C.; Alberti, A.; Cruciani, G. Cation migration and structural modification of Co-exchanged ferrierite upon heating: a time-resolved X-ray powder diffraction study J. Phys. Chem. B, 2003, 107, 12973-12980 |
1532903 | CIF | Al6 Cs7.39 H14.78 O79.39 Si30 | C 1 2/m 1 | 17.4303; 17.9836; 7.4396 90; 113.83; 90 | 2133.21 | Johnson, M.; Barnes, P.; O'Connor, D.; Stephenson, R.; Owens, S.L.; Catlow, C.R.A.; Sankar, G.; Teat, S.J.; Bell, R. Cation exchange, dehydration and calcination in clinoptilolite: in situ X-ray diffraction and computer modelling J. Phys. Chem. B, 2003, 107, 942-951 |
1532905 | CIF | Al6 Cs7.1 O72 Si30 | C 1 2/m 1 | 17.213; 17.616; 7.435 90; 113.529; 90 | 2067.03 | Johnson, M.; O'Connor, D.; Barnes, P.; Bell, R.; Catlow, C.R.A.; Sankar, G.; Owens, S.L.; Teat, S.J.; Stephenson, R. Cation exchange, dehydration and calcination in clinoptilolite: in situ X-ray diffraction and computer modelling J. Phys. Chem. B, 2003, 107, 942-951 |
1532907 | CIF | Al6 Cs6 O72 Si30 | C 1 2/m 1 | 17.17; 17.68; 7.456 90; 113.27; 90 | 2079.27 | Johnson, M.; O'Connor, D.; Barnes, P.; Owens, S.L.; Stephenson, R.; Catlow, C.R.A.; Sankar, G.; Teat, S.J.; Bell, R. Cation exchange, dehydration and calcination in clinoptilolite: in situ X-ray diffraction and computer modelling J. Phys. Chem. B, 2003, 107, 942-951 |
1532909 | CIF | Al6 H18.08 Na8 O81.04 Si30 | C 1 2/m 1 | 17.403; 18.012; 7.435 90; 113.812; 90 | 2132.2 | Johnson, M.; Catlow, C.R.A.; O'Connor, D.; Barnes, P.; Owens, S.L.; Bell, R.; Sankar, G.; Teat, S.J.; Stephenson, R. Cation exchange, dehydration and calcination in clinoptilolite: in situ X-ray diffraction and computer modelling J. Phys. Chem. B, 2003, 107, 942-951 |
1532910 | CIF | Al6 Na6 O72 Si30 | C 1 2/m 1 | 16.945; 16.876; 7.369 90; 114.898; 90 | 1911.42 | Johnson, M.; O'Connor, D.; Bell, R.; Barnes, P.; Catlow, C.R.A.; Sankar, G.; Owens, S.L.; Teat, S.J.; Stephenson, R. Cation exchange, dehydration and calcination in clinoptilolite: in situ X-ray diffraction and computer modelling J. Phys. Chem. B, 2003, 107, 942-951 |
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